sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 2tmd | ADP | Trimethylamine dehydrogenase | 1.5.8.2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2tmd | ADP | Trimethylamine dehydrogenase | 1.5.8.2 | 1.000 | |
| 1djq | ADP | Trimethylamine dehydrogenase | 1.5.8.2 | 0.823 | |
| 1djn | ADP | Trimethylamine dehydrogenase | 1.5.8.2 | 0.748 | |
| 1o94 | ADP | Trimethylamine dehydrogenase | 1.5.8.2 | 0.572 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.478 | |
| 1u7h | NAD | Putative ornithine cyclodeaminase | / | 0.468 | |
| 4b69 | FAD | L-ornithine N(5)-monooxygenase | / | 0.452 | |
| 4bk3 | FAD | Probable salicylate monooxygenase | / | 0.452 | |
| 4opi | FDA | Conserved Archaeal protein | / | 0.451 | |
| 1w4x | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.446 | |
| 3fpz | AHZ | Thiamine thiazole synthase | / | 0.445 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.445 | |
| 2yr4 | FAD | Phenylalanine 2-monooxygenase precursor | 1.13.12.9 | 0.441 | |
| 3cge | FAD | Coenzyme A disulfide reductase | / | 0.441 |